V025-3898 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V025-3898 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V025-3898 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3898
ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V025-3898

Molecular Formula

C25H33ClN2O4 (C25 H33 ClN2 O4)

Compound Name

ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[1-(4-chlorophenyl)-N-(3-methylbutyl)formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(CCC(C)C)C(c(cc2)ccc2Cl)=O)=O)c1C

InChI

InChI=1S/C25H33ClN2O4/c1-7-28-18(6)22(17(5)23(28)25(31)32-8-2)21(29)15-27(14-13-16(3)4)24(30)19-9-11-20(26)12-10-19/h9-12,16H,7-8,13-15H2,1-6H3

InChI Key

VAZVZVPBCCJTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-5.32

Polar Surface Area

51.152

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V025-3898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3898?
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What is the minimum amount of V025-3898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3898
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V025-3898 available by request